SCHEMBL1795352

SCHEMBL1795352

O=[C]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 5/20 0.55
TSHR P16473 3/20 0.55
GPR35 Q9HC97 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
VCAM1 P19320 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5079763 0.86 TDP1 (0.59) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL1800029 0.84 GPR35 (0.55) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5962192 0.83 VCAM1 (0.52) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5499188 0.82 TDP1 (0.55) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL82629 0.82 VCAM1 (0.66) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL7734099 0.80 VCAM1 (0.44) TDP1ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL5187586 0.78 GPR35 (0.58) TDP1ALDH1A1TSHRGPR35MAPK1
SCHEMBL5202695 0.78 HSD17B10 (0.62) TDP1ALDH1A1TSHRGPR35LMNA
SCHEMBL5712945 0.78 ALDH1A1 (0.62) TDP1ALDH1A1TSHRGPR35SMN1; SMN2
SCHEMBL28774866 0.78 CYP3A4 (0.56) TDP1ALDH1A1TSHRGPR35LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 251 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101298-A1 METHOD FOR PRODUCING MACROLIDE COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-05-16 WO claimed
CN-110330500-B Stereoselective synthesis method of 6 beta-hydroxy-7, 8-dihydro-morphine derivative 宜昌人福药业有限责任公司 2021-11-23 CN claimed
CN-110305142-B Stereoselective synthesis method of 6 beta-hydroxymorphine derivative 宜昌人福药业有限责任公司 2021-11-16 CN claimed
CN-110330500-A A kind of Stereoselective synthesizing process of 6 beta-hydroxy -7,8- dihydro-morphine derivatives 宜昌人福药业有限责任公司 2019-10-15 CN claimed
EP-3205646-A2 INTERMEDIATES FOR THE MANUFACTURE OF (R)-5-[2- (5,6-DIETHYLINDAN-2-YLAMINO)-1-HYDROXYETHYL]-8-HYDROXY-(1H)-QUINOLIN-2-ONE (INDACATEROL) Laboratorios Lesvi, S.L. (ES) 2017-08-16 EP claimed
EP-2978745-A1 PROCESS FOR THE MANUFACTURE OF (R)-5-[2-(5,6-DIETHYLINDAN-2-YLAMINO)-1-HYDROXYETHYL]-8-HYDROXY-(1H)-QUINOLIN-2-ONE Laboratorios Lesvi, S.L. (ES) 2016-02-03 EP claimed
WO-2014154841-A1 PROCESS FOR THE MANUFACTURE OF (R)-5-[2-(5,6-DIETHYLINDAN-2-YLAMINO)-1-HYDROXYETHYL]-8-HYDROXY-(1H)-QUINOLIN-2-ONE LABORATORIOS LESVI, S.L. (ES) 2014-10-02 WO claimed
CN-101723846-B Novel 18F labeled p-nitro benzoyl amino acid derivatives, preparation method and application thereof in tumor imaging UNIV BEIJING NORMAL 2013-11-06 CN claimed
CN-101967149-A New18F substituted nitro-labeled pyrazolo [1,5-a] pyrimidine compounds, their preparation and application UNIV BEIJING NORMAL 2011-02-09 CN claimed
CN-101723846-A Novel 18F labeled p-nitro benzoyl amino acid derivatives, preparation method and application thereof in tumor imaging UNIV BEIJING NORMAL 2010-06-09 CN claimed
WO-2008072849-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2008-06-19 WO claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0725787-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-08-14 EP claimed
WO-1996006853-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO claimed
US-5049681-A Optically active allyl alcohol and process for producing leucotriene B.sub.4 NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0259268-A1 Process for the preparation of optically active beta-lactams CIBA-GEIGY AG (CH) 1988-03-09 EP claimed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed